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CAS 139551-73-8 FMOC-D-PEN(BZL)-OH molecular structure lightbox
CAS RN: 139551-73-8

FMOC-D-PEN(BZL)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260527 25mg Out of stock 15 business days Inquiry
  • Product code: SSC-050179
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 139551-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

139551-73-8 / (2S)-3-benzylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid

Standard CAS: 139551-73-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
139551-73-8
Multi CAS
No
Molecular Formula
C27H27NO4S
Molecular Weight
461.600000
Exact Mass
461.166080
SMILES
CC(C)([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)SCC4=CC=CC=C4
InChI
InChI=1S/C27H27NO4S/c1-27(2,33-17-18-10-4-3-5-11-18)24(25(29)30)28-26(31)32-16-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-15,23-24H,16-17H2,1-2H3,(H,28,31)(H,29,30)/t24-/m0/s1
InChIKey
YVXKVWYRXVISMT-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
131.44
TPSA
75.63

LogP / Solubility

WLOGP
5.69
MLOGP
5.04
XLogP3
5.4
Consensus LogP
5.38
Log S (ESOL)
-6.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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